Basic information
- CAS
108086-47-1- Standard SMILES
O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(Cl)cc1- InChIKey
IMEILJCOTBAOGM-UHFFFAOYSA-N- Molecular formula
- C16H12ClN3O2
- Average molar mass
- 313.74 g/mol
- Monoisotopic mass
- 313.0618043
Names & identifiers
- Preferred name
- 3(4H)-Quinazolineacetamide, N-(4-chlorophenyl)-4-oxo-
- IUPAC
- N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
Names & synonyms
108086-47-13(4H)-Quinazolineacetamide, N-(4-chlorophenyl)-4-oxo-BRN 5593679N-(4-Chlorophenyl)-4-oxo-3(4H)-quinazolineacetamideDTXSID80148378RefChem:269715DTXCID0070869N-(4-chlorophenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamideN-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamideN-(4-chlorophenyl)-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamideN-(4-chlorophenyl)-2-(4-oxo-3(4H)-quinazolinyl)acetamideOprea1_402718
Show more names
CHEMBL5402653STK241653AKOS000471887ST50451705AP-853/14579010SR-01000466386SR-01000466386-1Z28160489
Database identifiers
- CAS
108086-47-1- PubChem CID
- 853089
- DTXSID
DTXSID80148378- ChEMBL
CHEMBL5402653
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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